Chemical Compound

Dalcotidine

CAS Registry Number120958-90-9
Dalcotidine chemical structure
Primary record

Dalcotidine

CAS
120958-90-9
PubChem CID
129319
SMILES
CCNC(=O)NCCCOC1=CC=CC(=C1)CN2CCCCC2
Molecular Formula
C18H29N3O2
Molecular Weight
319.449
Exact Mass
319.226
InChI
InChI=1S/C18H29N3O2/c1-2-19-18(22)20-10-7-13-23-17-9-6-8-16(14-17)15-21-11-4-3-5-12-21/h6,8-9,14H,2-5,7,10-13,15H2,1H3,(H2,19,20,22)
InChIKey
SVCQBXMFONNZHX-UHFFFAOYSA-N
LogP
2.7605
TPSA
53.6

Names and synonyms

  • Dalcotidine
  • Dalcotidina
  • Dalcotidine [INN]
  • 120958-90-9
  • Dalcotidine (JAN/INN)
  • RefChem:927151
  • DALCOTIDINE [JAN]
  • UNII-9968S2UKFJ
  • KU-1257
  • D0A2IH
  • AC1L2VE9
  • 9968S2UKFJ
  • DTXSID4048806
  • KU 1257
  • CHEMBL311206
  • orb1697580
  • SCHEMBL1815082
  • DTXCID1028732
  • SCHEMBL29395522
  • CHEBI:31454
  • ZINC1889603
  • Tox21_113283
  • CID129319
  • MFCD00880454
  • NCGC00182982-01
  • AKOS040751395
  • C18-H29-N3-O2
  • TS-08704
  • 1-ethyl-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea
  • HY-116208